(phenylmethyl) (3S)-6,8-bis(iodanyl)-7-oxidanyl-3-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-6,8-bis(iodanyl)-7-oxidanyl-3-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-7-hydroxy-6,8-diiodo-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-7-hydroxy-6,8-diiodo-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-7-hydroxy-6,8-diiodo-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-7-hydroxy-6,8-diiodo-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C28H27I2N3O4 MolecularWeight: 723.34062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC(=C(C(=C4CN3C(=O)OCC5=CC=CC=C5)I)O)I

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=CC(=C(C(=C4CN3C(=O)OCC5=CC=CC=C5)I)O)I

InChI

InChI=1S/C28H27I2N3O4/c29-23-15-20-16-24(27(35)32-13-11-31(12-14-32)21-9-5-2-6-10-21)33(17-22(20)25(30)26(23)34)28(36)37-18-19-7-3-1-4-8-19/h1-10,15,24,34H,11-14,16-18H2/t24-/m0/s1